2BZ
Summary
| Name: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine |
| Formula: | C17 H10 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 351.747 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 5-(2-chlorophenyl)-3-methyl-7-nitro-pyrazolo[3,4-b][1,4]benzodiazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1nnc2nc3ccc(cc3c(nc12)c4ccccc4Cl)[N+]([O-])=O |
| SMILES | CACTVS | 3.352 | Cc1nnc2nc3ccc(cc3c(nc12)c4ccccc4Cl)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl |
| InChI | InChI | 1.03 | InChI=1S/C17H10ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,1H3 |
| InChIKey | InChI | 1.03 | NKUOWCWVEBHJCR-UHFFFAOYSA-N |
